N~2~-[(Benzyloxy)Carbonyl]-N-[(3R)-1-Cyano-3-Pyrrolidinyl]-L-Leucinamide

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Properties Simple | Detailed

Formula C19H26N4O3
IUPAC Name benzyl n-[(1s)-1-[[(3r)-1-cyanopyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamate
Molecular Mass 358.435 g·mol−1
Heat of Formation -392.8 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 451.94 Å 3
Surface Area 402.56 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 3.00 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-1-[[(3r)-1-cyanopyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester
  • n-[(1s)-1-[[[(3r)-1-cyano-3-pyrrolidinyl]amino]-oxomethyl]-3-methylbutyl]carbamic acid phenylmethyl ester
  • n2-[(benzyloxy)carbonyl]-n1-[(3s)-1-cyanopyrrolidin-3-yl]-l-leucinamide
  • nbl
  • phenylmethyl n-[(1s)-1-[[(3r)-1-cyanopyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamate
  • phenylmethyl n-[(2s)-1-[[(3r)-1-cyanopyrrolidin-3-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamate
  • phenylmethyl n-[(2s)-1-[[(3r)-1-cyanopyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
InChIKey IMTUSTXBVIALBC-SJORKVTESA-N
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